4477-0055 Screening compound: 6-(4-bromophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

4477-0055 Screening compound: 6-(4-bromophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol
4477-0055 Screening compound: 6-(4-bromophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0055
6-(4-bromophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4477-0055

Molecular Formula

C22H14BrNOS (C22 H14 BrNOS)

Compound Name

6-(4-bromophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

IUPAC name

n/a

SMILES

OC(c1c2cccc1)=C1C2=Nc(cccc2)c2SC1c(cc1)ccc1Br

InChI

InChI=1S/C22H14BrNOS/c23-14-11-9-13(10-12-14)22-19-20(15-5-1-2-6-16(15)21(19)25)24-17-7-3-4-8-18(17)26-22/h1-12,22,25H/t22-/m1/s1

InChI Key

OCRPJJVCTSPKOU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00495846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.479

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-5.87

Polar Surface Area

22.906

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.55

4477-0055 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 4477-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0055?
Check Price and Availability of 4477-0055, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4477-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0055
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4477-0055 available by request